CID 22924

1-methyl-3-phenylindan

Structural Information

Molecular Formula
C16H16
SMILES
CC1CC(C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3
InChIKey
JHIDJKSBZPNVKZ-UHFFFAOYSA-N
Compound name
1-methyl-3-phenyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

208.1252 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13248 146.6
[M+Na]+ 231.11442 154.7
[M-H]- 207.11792 154.3
[M+NH4]+ 226.15902 168.5
[M+K]+ 247.08836 149.9
[M+H-H2O]+ 191.12246 140.1
[M+HCOO]- 253.12340 169.6
[M+CH3COO]- 267.13905 160.2
[M+Na-2H]- 229.09987 151.5
[M]+ 208.12465 145.3
[M]- 208.12575 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe